TRICHOTHECOLONE PALMITATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H50O5
Molecular Weight	502.7257
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@](C)(C13CO3)[C@@]4(C)CC(=O)C(C)=C[C@@]4([H])O2

InChI

InChIKey=ALAKXPPBGLXDKP-WDBJJVJHSA-N

InChI=1S/C31H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(33)36-26-20-27-31(22-34-31)30(26,4)29(3)21-24(32)23(2)19-25(29)35-27/h19,25-27H,5-18,20-22H2,1-4H3/t25-,26-,27-,29+,30-,31?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H50O5
Molecular Weight	502.7257
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:36:35 GMT 2023` Edited by `admin` on `Sat Dec 16 10:36:35 GMT 2023`
Record UNII	1R3CQO7CKO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICHOTHECOLONE PALMITATE

Common Name

English

TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-4-((1-OXOHEXADECYL)OXY)-, (4.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

1R3CQO7CKO

Created by admin on Sat Dec 16 10:36:35 GMT 2023 , Edited by admin on Sat Dec 16 10:36:35 GMT 2023

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CAS

100667-47-8

Created by admin on Sat Dec 16 10:36:35 GMT 2023 , Edited by admin on Sat Dec 16 10:36:35 GMT 2023

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PUBCHEM

119025889

Created by admin on Sat Dec 16 10:36:35 GMT 2023 , Edited by admin on Sat Dec 16 10:36:35 GMT 2023

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